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Compound Detail

CHEMBL1789652

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C[N+]1(CCOc2cnc3c4c(cccc24)C(=O)c2ccccc2-3)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789652
Phase Preclinical
Structure Type MOL
InChI Key AUHBAWMQACSNCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.07
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N2O2+
MW 359.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine